(3-tert-butyl-4-phenylmethoxy-phenyl)-[1-(phenylmethyl)sulfonyloxypropan-2-yl]carbamic acid

Systemtic Name: (3-tert-butyl-4-phenylmethoxy-phenyl)-[1-(phenylmethyl)sulfonyloxypropan-2-yl]carbamic acid Openeye Name: (4-benzyloxy-3-tert-butyl-phenyl)-(2-benzylsulfonyloxy-1-methyl-ethyl)carbamic acid CAS Name: (3-tert-butyl-4-phenylmethoxyphenyl)-[1-(phenylmethyl)sulfonyloxypropan-2-yl]carbamic acid IUPAC Name: 1-benzylsulfonyloxypropan-2-yl-(3-tert-butyl-4-phenylmethoxyphenyl)carbamic acid Traditional Name: (4-benzoxy-3-tert-butyl-phenyl)-(2-benzylsulfonyloxy-1-methyl-ethyl)carbamic acid Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)CC1=CC=CC=C1)N(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(COS(=O)(=O)CC1=CC=CC=C1)N(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C28H33NO6S/c1-21(18-35-36(32,33)20-23-13-9-6-10-14-23)29(27(30)31)24-15-16-26(25(17-24)28(2,3)4)34-19-22-11-7-5-8-12-22/h5-17,21H,18-20H2,1-4H3,(H,30,31)